CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid |
|---|---|
| Color/Form | Pale-yellow, viscous liquid |
| Odor | Slight phenolic odor |
| Boiling Point | 293-297 °C |
| Melting Point | Freezing point: -10 °C (sets to glass below this temperature) |
| Flash Point | 285 °F |
| Solubility | In water, 4.90 mg/L at 25 °C |
| Density | 0.950 at 20 °C/4 °C |
| Vapor Density | 7.59 (Air = 1) |
| Vapor Pressure | 0.000024 [mmHg] |
| LogP | log Kow = 5.71 (average of 3 isomers) |
| Decomposition | When heated to decomp it emits acrid smoke and irritating fumes. |
| Viscosity | 563 cP at 20 °C |
| Heat of Vaporization | 9.8113 J/kmol at 279.15 K |
| Surface Tension | ESTIMATED 30 DYNES/CM= 0.03 N/M @ 20 °C |
| Refractive Index | Index of refraction: 1.513 at 20 °C/D |
| Dissociation Constants | pKa = 10.25 |
| Other Experimental Properties | Comparatively high viscosity. |
| Chemical Classes | Other Classes -> Phenols |
COMPUTED DESCRIPTORS
| Molecular Weight | 220.35 g/mol |
|---|---|
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 8 |
| Exact Mass | 220.182715385 g/mol |
| Monoisotopic Mass | 220.182715385 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 156 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Nonylphenol is a natural product found in Paeonia lactiflora with data available.